General Information of the Compound
| Compound ID |
CP0457181
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| Compound Name |
9-(3-fluorophenyl)-2-morpholin-4-yl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]purin-6-amine
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| Structure |
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| Formula |
C25H22FN7OS
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| Molecular Weight |
487.564
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| Canonical SMILES |
Fc1cccc(c1)-n1cnc2c(NCc3nc(cs3)-c3ccccc3)nc(nc12)N1CCOCC1
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| InChI |
InChI=1S/C25H22FN7OS/c26-18-7-4-8-19(13-18)33-16-28-22-23(30-25(31-24(22)33)32-9-11-34-12-10-32)27-14-21-29-20(15-35-21)17-5-2-1-3-6-17/h1-8,13,15-16H,9-12,14H2,(H,27,30,31)
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| InChIKey |
NGENZFMHWPMDAY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01351, Casein kinase I isoform delta
Protein ID: PT01551, Casein kinase I isoform epsilon